SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

CIMIRAGLIA, Renzo
 Distribuzione geografica
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Continente #
NA - Nord America 12.344
AS - Asia 5.954
EU - Europa 2.846
SA - Sud America 926
Continente sconosciuto - Info sul continente non disponibili 116
AF - Africa 108
OC - Oceania 4
Totale 22.298
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Nazione #
US - Stati Uniti d'America 12.062
SG - Singapore 2.109
CN - Cina 1.655
UA - Ucraina 706
BR - Brasile 703
DE - Germania 627
VN - Vietnam 601
HK - Hong Kong 522
TR - Turchia 432
GB - Regno Unito 375
IT - Italia 261
FI - Finlandia 190
FR - Francia 189
JP - Giappone 170
RU - Federazione Russa 164
SE - Svezia 137
MX - Messico 126
CA - Canada 109
IN - India 109
AR - Argentina 88
BD - Bangladesh 65
IQ - Iraq 57
PL - Polonia 51
ID - Indonesia 45
CO - Colombia 35
ZA - Sudafrica 32
ES - Italia 29
PK - Pakistan 27
VE - Venezuela 26
EC - Ecuador 24
BE - Belgio 22
NL - Olanda 22
MY - Malesia 21
SA - Arabia Saudita 19
PH - Filippine 18
JM - Giamaica 17
CL - Cile 16
EG - Egitto 14
UZ - Uzbekistan 14
MA - Marocco 12
PY - Paraguay 12
TN - Tunisia 12
AE - Emirati Arabi Uniti 11
LT - Lituania 10
CH - Svizzera 9
UY - Uruguay 9
KE - Kenya 8
PE - Perù 8
HU - Ungheria 7
IL - Israele 7
KZ - Kazakistan 7
TH - Thailandia 7
TT - Trinidad e Tobago 7
TW - Taiwan 7
AT - Austria 6
CR - Costa Rica 6
JO - Giordania 6
KR - Corea 6
DZ - Algeria 5
HN - Honduras 5
OM - Oman 5
RO - Romania 5
BG - Bulgaria 4
BO - Bolivia 4
EE - Estonia 4
GT - Guatemala 4
NO - Norvegia 4
NP - Nepal 4
PS - Palestinian Territory 4
PT - Portogallo 4
QA - Qatar 4
CZ - Repubblica Ceca 3
DK - Danimarca 3
DO - Repubblica Dominicana 3
ET - Etiopia 3
GA - Gabon 3
HR - Croazia 3
KG - Kirghizistan 3
LY - Libia 3
RS - Serbia 3
SN - Senegal 3
SY - Repubblica araba siriana 3
AL - Albania 2
AU - Australia 2
BH - Bahrain 2
CG - Congo 2
CI - Costa d'Avorio 2
GE - Georgia 2
GR - Grecia 2
IR - Iran 2
KW - Kuwait 2
NG - Nigeria 2
AZ - Azerbaigian 1
BJ - Benin 1
BS - Bahamas 1
BW - Botswana 1
CY - Cipro 1
IE - Irlanda 1
IS - Islanda 1
LB - Libano 1
Totale 22.163
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Città #
Singapore 1.408
Woodbridge 1.192
Ashburn 943
Fairfield 921
Jacksonville 787
Houston 776
Chandler 681
San Jose 670
Santa Clara 578
Ann Arbor 528
Hong Kong 514
Beijing 452
Council Bluffs 394
Seattle 361
Wilmington 327
Cambridge 294
Izmir 248
Nanjing 210
Ho Chi Minh City 196
Tokyo 159
Princeton 154
Boardman 144
Hanoi 142
San Diego 140
Lauterbourg 123
New York 119
Los Angeles 117
Dallas 108
Mexico City 84
Shenyang 72
Munich 71
São Paulo 69
Nanchang 63
Tianjin 59
Moscow 53
Addison 50
Hebei 45
Chicago 44
Warsaw 43
Atlanta 42
Changsha 42
London 41
Orem 39
Jiaxing 38
Milan 37
The Dalles 37
Da Nang 34
Denver 34
Toronto 33
Shanghai 32
Brooklyn 30
Chennai 30
Helsinki 29
Ferrara 27
Hefei 27
Redwood City 27
Zhengzhou 27
Haiphong 26
Rio de Janeiro 26
Jinan 25
Montreal 23
Mountain View 23
Brussels 22
Stockholm 22
Baghdad 21
Kunming 21
San Francisco 21
Falkenstein 20
Brasília 19
Norwalk 19
Rome 19
Frankfurt am Main 18
Ankara 17
Biên Hòa 17
Falls Church 17
Guangzhou 17
Phoenix 17
Indiana 16
Johannesburg 16
Ningbo 16
Des Moines 15
Columbus 14
Medellín 14
Turku 14
Boston 13
Buenos Aires 13
Nuremberg 13
Orange 13
Auburn Hills 12
Manchester 12
Mumbai 12
Philadelphia 12
Tashkent 12
Belo Horizonte 11
Buffalo 11
Curitiba 11
Guayaquil 11
Hangzhou 11
Istanbul 11
Querétaro 11
Totale 14.649
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Nome #
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 270
FRODO program for Mathematica 268
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 264
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 258
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 254
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 254
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 254
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 251
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach 250
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 250
DALTON Release 2 Program 250
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 245
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study 242
A theoretical study of BeN linear chains: Variational and perturbative approaches 242
An ab initio multireference perturbation theory study on the manganese dimer 231
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 229
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 224
Ab initio quasirelativistic calculations on angular momentum and magnetic couplings of molecular electronic states 220
New perspectives in multireference perturbation theory: the n-electron valence state approach 219
DALTON2011 Program 213
Assessment of Multireference Perturbation Methods for Chemical Reaction Barrier Heights 210
Third-order multireference perturbation theory: the n-electron valence state perturbation theory approach 209
Developments in the n-electron valence state perturbation theory 208
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 206
Photoionization of furan from the ground and excited electronic states 198
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 196
Molecular trapping of nuclei produced in neutrino capture reactions 194
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 190
The problem of interoperability: a common data format for Quantum Chemistry codes 189
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 188
A Theoretical study on the dissociation reaction of dioxirane: H2CO2 to H2 + CO2 188
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 188
Charge-displacement analysis for excited states 187
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 187
A novel perturbation-based CAS-SCF algorithm: application to the direct calculation of localized orbitals 186
Energy and radiative properties of the low-lying NaRb states 185
Ab initio study of the photodissociation of nitrosoalkanes and nitrosamines 185
A theoretical study of the phosphorescence lifetimes of H_2CO, CH_3CHO and (CH_3)_2CO 183
Multiple complete active space self-consistent field solutions 179
Ground state of the Mo2, W2 and MoCr molecules: a second and third order multireference perturbation theory study 178
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 178
Calibration of the n-electron valence state perturbation theory approach 177
Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation 176
N-electron valence state perturbation theory: a spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants 175
A preliminary ab initio investigation of the fate of the oxirane cation after vertical ionization of the oxirane molecule 175
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 174
NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde. 173
Geometry optimization within a localized CAS-SCF approach 169
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 167
The use of local orbitals in multireference calculations 163
Introduction of n-electron valence states for multireference perturbation theory 162
Diagrammatic formulation of the second-order many-body multipartitioning perturbation theory 162
Multireference perturbation CI IV. Selection procedure for one-electron properties 162
Adiabatic and Diabatic Basis Sets in molecular Calculations 162
Dynamical photoionization observables of the CS molecule: The role of electron correlation 161
Correlation energy, thermal energy and entropy effects in stabilizing different secondary structures of peptides 160
The low-lying states of the scandium dimer 160
Local orbitals for quasi-degenerate systems 157
Multireference perturbation theory can predict a false ground state 157
Simplified treatment of organic substituents in SCF-CI calculations. The methyl group 155
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes 154
Ab initio evaluation of absorption and emission transitions for molecular solutes, including separate consideration of orientational and inductive solvent effects 154
Many-body multireference Moeller-Plesset and Epstein-Nesbet perturbation theory: fast evaluation of second-order energy contributions 153
Theoretical investigations on the solvation process - II. The monohydrated associates of some three-membered ring molecules 152
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme 152
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model 152
Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view 151
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 151
Electronic structure investigation of the evanescent AtO+ ion. 150
Theoretical description of the conformation and the tautomerism of progabide 150
X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s → σ* resonance: Experiment and theory 150
Mechanism of thermal Z/E isomerization of aromatic azo compounds. Relation between rotation and inversion states 149
Multipole expansions of the electrostatic molecular potential 144
Structure and tautomerism om maleic hydrazide 144
A Theoretical description of the trans- cis conversion in the lowest excited states of diimide. A comparison of different methods for the calculation of excited state wave functions 143
Multireference perturbation configuration interaction. V. Third-order energy contributions in the Moller-Plesset and Epstein-Nesbet partitions. 141
The evaluation of non adiabatic matrix elements. A comparison of different approximations applied to LiH X-A ^1\Sigma^+ 141
Non adiabatic interactions in the symmetric ring opening process of dioxirane 141
A conformational basis for the description of the thermal E/Z isomerization of aromatic azo and azomethine compounds 141
Merging multireference perturbation and density-functional theories by means of range separations: Potential curves for Be2, Mg2 and Ca2 136
Mechanism of thermal Z/E isomerization of substituted N-benzylidenanilines. Nature of the activated complex with an sp-hybridized nitrogen atom 135
The origin of lambda doubling effect for the B1Pi and D1Pi states of NaK 133
Base‐induced reactions of isothiazolium salts with active 5‐methyl or 5‐methylene groups 133
On the A1Π-X1Σ+ transition in BH: Λ-doubling and vibrational structure Ab initio calculations 132
Alternative paths in the ring opening of oxadiaziridine: The diimide N-oxide versus the oxodiimide rearrangement - An ab initio study 131
The cis- trans thermal and photochemical interconversion mechanism in the diimide N-oxide. A comparison of the results obtainable with different ab initio calculation techniques 131
Contracted and supercontracted basis sets in the theoretical treatment of coordination compounds: the cyclopentadienyl anion and ferrocene 131
Comments on the diabatic representation 128
An ab initio study of the structure and electronic spectrum of 1,2-dithiete and 1,2-dithiin 128
Theoretical investigations on the solvation process. III. STO double-zeta SCF calculations on the hydrated proton H5O2+ 128
Study of homonuclear diatomic molecules containing multiple bonds using the NEV-PT perturbation theory. 128
Nonempirical investigations on the azomethine group. 1. The effect of the conjugation with a phenyl ring. A comparison of the electronic structure of the ground and lowest excited states in benzaldimine and N- phenylformaldimine 127
Study of correlation holes. II. CI calculations on model polyatomic systems 124
The mechanism of carbonyl reduction by LiBH_4 : an ab initio investigation with inclusion of solvent effects 122
An ab initio study of the lowest ^1,3\Sigma^+ states of BH. Quasi diabatic curves and vibronic couplings 122
On the direct calculation of the time evolution of excited molecular states in the presence of non adiabatic interactions 119
Quantum wavepacket dynamics for the ^1\Sigma^+ states of Boron Hydride 118
On the free energy changes of a solution in light absorption or emission processes 118
Can hexazine (N_6) be stable? 117
On the tautomerism of maleimide and phtalimide derivatives 117
Totale 17.518
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Categoria #
all - tutte 105.683
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 1.315
Totale 106.998
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20221.113 0 0 0 24 75 111 71 76 60 114 132 450
2022/20231.445 168 69 36 180 234 259 10 149 198 12 76 54
2023/2024510 82 112 14 16 32 47 14 16 7 12 6 152
2024/20252.242 79 144 210 34 303 229 12 188 263 279 293 208
2025/20267.286 539 394 656 1.289 1.023 433 591 383 849 852 178 99
2026/20271.757 254 370 746 387 0 0 0 0 0 0 0 0
Totale 22.298